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Hi-- I didn't realize you were referring to the scripts in the eginput/protG directory. > First,thanks for your answer about "Promble with residual dipolar > coupling".but when I am using grid_search.inp to find the values of Da > and rhombicity,I find error in output(pdb file): > X-PLOR> evaluate ($file= "compare_" + encode($no_struct) + ".pdb") > EVALUATE: symbol $FILE set to "compare_1.pdb" (string) > X-PLOR> coor @$file > %ASSFIL-ERR: error opening file compare_1.pdb > %ASSFIL-ERR: Error accessing file > %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% > BOMLEV= 0 reached. Program execution will be terminated. > %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% > Subroutine DIE called . Terminating > Sorry- this script assumes that you have already determined structures using some other method. You might try the methods described in Bax, A.; Kontaxis, G.; Tjandra, N. Methods Enzymol. 339, 127-174 (2001). best regards-- Charles -----BEGIN PGP SIGNATURE----- Version: GnuPG v1.2.4 (GNU/Linux) Comment: Processed by Mailcrypt 3.5.8 <http://mailcrypt.sourceforge.net/> iD8DBQFBNz+PPK2zrJwS/lYRAgDrAJ9G6Av6jPtagfRasx8LbHoOlTLtzACeKkP1 f1Ftbxz4h9hUa0Q/ceZ1TkI= =Q4cj -----END PGP SIGNATURE-----
